2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide

C13H17F2N3O4S — CID 9301380

IUPAC2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)CNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C13H17F2N3O4S/c1-8(2)18-12(20)6-16-11(19)7-17-23(21,22)13-9(14)4-3-5-10(13)15/h3-5,8,17H,6-7H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyVQJHVASPKURSKK-UHFFFAOYSA-N
MW349.36 g/mol
LogP-0.12
Rot. Bonds7

About 2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide

2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 9301380) has the molecular formula C13H17F2N3O4S and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide
PubChem CID9301380
Molecular FormulaC13H17F2N3O4S
Molecular Weight349.36 g/mol
Exact Mass349.09
IUPAC Name2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)CNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C13H17F2N3O4S/c1-8(2)18-12(20)6-16-11(19)7-17-23(21,22)13-9(14)4-3-5-10(13)15/h3-5,8,17H,6-7H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyVQJHVASPKURSKK-UHFFFAOYSA-N
XLogP-0.12
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 107325645
2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567667
2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide
CID 146122653
N-(2,4-difluorophenyl)-2-[(2,6-difluorophenyl)sulfonylamino]acetamide
CID 9164959
2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606877
methyl 3-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-4-methylbenzoate
CID 9495068
N-[4-(difluoromethoxy)phenyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide
CID 9404964
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide
CID 54938590
2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271298
propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate
CID 47121963
2-[(2,6-difluorophenyl)sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278743
2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 79027694

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide (CID 9301380) is 2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(=O)CNS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is VQJHVASPKURSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O4S/c1-8(2)18-12(20)6-16-11(19)7-17-23(21,22)13-9(14)4-3-5-10(13)15/h3-5,8,17H,6-7H2,1-2H3,(H,16,19)(H,18,20).
What are the key properties of 2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide?
2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 349.36 g/mol, XLogP of -0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,6-difluorophenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9301380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).